2Z8Q
ferredoxin from Pyrococcus furiosus, D14C variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.931 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 51.400, 116.800, 47.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.010 - 1.700 |
R-factor | 0.1656 |
Rwork | 0.164 |
R-free | 0.19396 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sj1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.292 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.940 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.112 | 0.258 |
Number of reflections | 16226 | |
<I/σ(I)> | 11.41 | 5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 35% PEG 600, 0.1 MIB pH 7.5, 7mM [Co(NH3)6]Cl3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |